2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine

C12H14N4S — CID 114276568

IUPAC2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine
SMILESCCc1nc(C)cc(Sc2ncccc2N)n1
InChIInChI=1S/C12H14N4S/c1-3-10-15-8(2)7-11(16-10)17-12-9(13)5-4-6-14-12/h4-7H,3,13H2,1-2H3
InChIKeyNOMHIASDUKVBCI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine

2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine (PubChem CID 114276568) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine
PubChem CID114276568
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine
SMILESCCc1nc(C)cc(Sc2ncccc2N)n1
InChIInChI=1S/C12H14N4S/c1-3-10-15-8(2)7-11(16-10)17-12-9(13)5-4-6-14-12/h4-7H,3,13H2,1-2H3
InChIKeyNOMHIASDUKVBCI-UHFFFAOYSA-N
XLogP2.48
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine (CID 114276568) is 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine is CCc1nc(C)cc(Sc2ncccc2N)n1.
What is the InChIKey of 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine?
The InChIKey is NOMHIASDUKVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-3-10-15-8(2)7-11(16-10)17-12-9(13)5-4-6-14-12/h4-7H,3,13H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine?
2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylpyrimidin-4-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 114276568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).